1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-indan-5-ylsulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-indan-5-ylsulfonyl-4-(2-pyridylmethyl)piperazin-4-ium Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C19H23N3O2S/c23-25(24,19-8-7-16-4-3-5-17(16)14-19)22-12-10-21(11-13-22)15-18-6-1-2-9-20-18/h1-2,6-9,14H,3-5,10-13,15H2/p+1